Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4904960 | 0.84 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL27985386 | 0.84 | MEN1 (0.52) | NPC1RAB9ASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL27160228 | 0.82 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL28110839 | 0.82 | RAB9A (0.44) | NPC1RAB9ASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL12679591 | 0.80 | KMT2A (0.71) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL12679588 | 0.78 | KMT2A (0.59) | MAPTMEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL4905327 | 0.78 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL12681346 | 0.78 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL12679606 | 0.76 | KMT2A (0.65) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL12679572 | 0.75 | KMT2A (0.56) | NPC1RAB9ASMN1; SMN2MAPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243048-A | A kind of hydrazone compounds of chloride benzopyrazines structure and preparation method and application | 浙江工业大学 | 2016-12-21 | — | — | CN | claimed |
| CN-106243048-A | A kind of hydrazone compounds of chloride benzopyrazines structure and preparation method and application | 浙江工业大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-106172418-A | The hydrazone compounds of a kind of chloride benzopyrazines structure is as the application of antibacterial | 浙江工业大学 | 2016-12-07 | — | — | CN | disclosed |